ACCESSION: MSBNK-Kazusa-KZ000131
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05447_P000035

CH$NAME: D-Xylulose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₀O₅
CH$EXACT_MASS: 150.05282
CH$SMILES: OCC(O)(O1)C(O)C(O)C1
CH$IUPAC: InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1
CH$LINK: CAS 551-84-8
CH$LINK: KEGG C00310
CH$LINK: INCHIKEY LQXVFWRQNMEDEE-OVEKKEMJSA-N

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 770.612 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0002-0920000000-d7f4bb2d430b4275fd98
PK$NUM_PEAK: 179
PK$PEAK: m/z int. rel.int.
  82 13 13
  83 3 3
  84 68 68
  85 13 13
  86 6 6
  87 14 14
  88 18 18
  89 223 223
  90 20 20
  91 9 9
  94 1 1
  95 1 1
  96 3 3
  97 1 1
  98 7 7
  99 8 8
  100 29 29
  101 61 61
  102 19 19
  103 400 400
  104 42 42
  105 38 38
  106 3 3
  107 1 1
  110 1 1
  111 3 3
  112 4 4
  113 12 12
  114 45 45
  115 29 29
  116 20 20
  117 537 537
  118 59 59
  119 47 47
  120 4 4
  121 2 2
  125 1 1
  126 22 22
  127 5 5
  128 12 12
  129 43 43
  130 15 15
  131 64 64
  132 12 12
  133 183 183
  134 24 24
  135 13 13
  136 1 1
  140 4 4
  141 3 3
  142 64 64
  143 21 21
  144 9 9
  145 9 9
  146 4 4
  147 999 999
  148 169 169
  149 98 98
  150 11 11
  151 4 4
  152 2 2
  154 15 15
  155 3 3
  156 9 9
  157 8 8
  158 12 12
  159 17 17
  160 5 5
  161 4 4
  162 1 1
  163 37 37
  164 6 6
  165 4 4
  166 1 1
  167 1 1
  168 6 6
  169 2 2
  170 4 4
  171 2 2
  172 46 46
  173 362 362
  174 60 60
  175 28 28
  176 4 4
  177 15 15
  178 3 3
  179 2 2
  180 1 1
  181 1 1
  182 1 1
  183 1 1
  184 4 4
  185 2 2
  186 7 7
  187 4 4
  188 7 7
  189 26 26
  190 8 8
  191 18 18
  192 3 3
  193 2 2
  198 5 5
  199 1 1
  200 8 8
  201 33 33
  202 29 29
  203 13 13
  204 38 38
  205 478 478
  206 98 98
  207 54 54
  208 8 8
  209 2 2
  214 9 9
  215 3 3
  216 15 15
  217 54 54
  218 15 15
  219 8 8
  220 2 2
  221 12 12
  222 3 3
  223 1 1
  228 4 4
  229 2 2
  230 6 6
  231 8 8
  232 15 15
  233 5 5
  234 2 2
  235 1 1
  240 2 2
  242 3 3
  243 1 1
  244 4 4
  245 1 1
  246 4 4
  247 1 1
  248 1 1
  256 4 4
  257 1 1
  258 1 1
  260 4 4
  261 1 1
  262 13 13
  263 193 193
  264 43 43
  265 19 19
  266 3 3
  272 1 1
  274 2 2
  277 1 1
  288 13 13
  289 3 3
  290 2 2
  291 5 5
  292 1 1
  293 1 1
  302 2 2
  304 1 1
  307 2 2
  318 3 3
  319 1 1
  330 1 1
  331 1 1
  332 2 2
  333 7 7
  334 5 5
  335 3 3
  336 2 2
  346 1 1
  362 2 2
  363 1 1
  364 15 15
  365 5 5
  366 2 2
  452 2 2
  453 1 1
  467 1 1
//